ChemSpider 2D Image | 3-(4-Quinolinylethynyl)-2,5-furandione | C15H7NO3

3-(4-Quinolinylethynyl)-2,5-furandione

  • Molecular FormulaC15H7NO3
  • Average mass249.221 Da
  • Monoisotopic mass249.042587 Da
  • ChemSpider ID91521997

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,5-Furandione, 3-[2-(4-quinolinyl)ethynyl]- [ACD/Index Name]
3-(4-Chinolinylethinyl)-2,5-furandion [German] [ACD/IUPAC Name]
3-(4-Quinoléinyléthynyl)-2,5-furanedione [French] [ACD/IUPAC Name]
3-(4-Quinolinylethynyl)-2,5-furandione [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 456.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 230.0±28.7 °C
Index of Refraction: 1.707
Molar Refractivity: 67.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.74
ACD/KOC (pH 5.5): 293.99
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.81
ACD/KOC (pH 7.4): 295.03
Polar Surface Area: 56 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 73.2±5.0 dyne/cm
Molar Volume: 173.3±5.0 cm3

Click to predict properties on the Chemicalize site


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